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CHEBI:233145 - isonicotinyl-CoA(4−)

ChEBI IDCHEBI:233145
ChEBI Nameisonicotinyl-CoA(4−)
Stars
ASCII Nameisonicotinyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of isonicotinyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC27H35N8O17P3S
Net Charge-4
Average Mass868.605
Monoisotopic Mass868.10757
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccncc1
InChIInChI=1S/C27H39N8O17P3S/c1-27(2,21(38)24(39)31-8-5-17(36)30-9-10-56-26(40)15-3-6-29-7-4-15)12-49-55(46,47)52-54(44,45)48-11-16-20(51-53(41,42)43)19(37)25(50-16)35-14-34-18-22(28)32-13-33-23(18)35/h3-4,6-7,13-14,16,19-21,25,37-38H,5,8-12H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,28,32,33)(H2,41,42,43)/p-4/t16-,19-,20-,21+,25-/m1/s1
InChIKeyZMJRXWLNJCQJSJ-MJQNIGQHSA-J
ChEBI Ontology
Outgoing Relation(s)
isonicotinyl-CoA(4−) (CHEBI:233145) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
isonicotinyl-CoAUniProt
Citations